Vitas-M small molecule compound
methyl 2-({[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK140894
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-25-17(24)13-9-5-6-10-14(13)19-15(23)11-26-18-20-16(21-22-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23)(H,20,21,22)InChIKey
RLMRDKWMMVRVDQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3
COC(=O)c1ccccc1NC(=O)CSc1nnc((nH)1)c1ccccc1
InChI=1SC18H16N4O3Sc12517(24)139561014(13)1915(23)1126182016(212218)127324812h210H11H21H3(H1923)(H202122)
METHYL2((((5PHENYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((((5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5PHENYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD02873002
ZINC000018250266
ZINC18250266
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